Terephthalic Acid

Terephthalic Acid

SCHEMBL3806690

C#CCC.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of Terephthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ TSHR P16473 3/20 0.57
▸ TP53 P04637 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SRD5A2 P31213 3/20 0.50
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ TYR P14679 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ CA5B Q9Y2D0 1/20 0.48
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Paraben SCHEMBL7876194 0.92 CA2 (0.64) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2
SCHEMBL502508 0.86 KDM4E (0.55) ALDH1A1TSHRTP53HPGDRARB
Terephthalic Acid SCHEMBL27306913 0.82 TSHR (0.75) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL11035242 0.79 TSHR (0.71) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL1482407 0.79 TSHR (0.71) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL30899317 0.79 TSHR (0.71) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2
SCHEMBL4141280 0.77 ALDH1A1 (0.54) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL11804308 0.77 TSHR (0.67) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL21599098 0.77 TSHR (0.67) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL27916115 0.77 TSHR (0.67) ALDH1A1TSHRTP53SMN1; SMN2SRD5A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398353-B1 THERMOPLASTIC RESIN COMPOSITION KANEKA CORP (JP) 2010-10-13 — — EP disclosed
US-7282535-B2 Thermoplastic resin composition KANEKA CORPORATION (JP) 2007-10-16 — — US disclosed
US-20040147674-A1 Thermoplastic resin composition KANEKA CORPORATION (JP) 2004-07-29 — — US disclosed
EP-1398353-A1 THERMOPLASTIC RESIN COMPOSITION Kaneka Corporation (JP) 2004-03-17 — — EP disclosed
US-4786685-A POLYESTER OR POLYCARBONATE BLENDED WITH A HYDROLYZED ETHYLENE-VINYL ACETATE COPOLYMER NIPPON GOHSEI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-11-22 — — US disclosed
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